methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate

C20H17N5O2S — CID 10222050

IUPACmethyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate
SMILESCOC(=O)c1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C20H17N5O2S/c1-12-11-17(25-24-12)22-18-15-5-3-4-6-16(15)21-20(23-18)28-14-9-7-13(8-10-14)19(26)27-2/h3-11H,1-2H3,(H2,21,22,23,24,25)
InChIKeySLACAFFVQJBURP-UHFFFAOYSA-N
MW391.46 g/mol
LogP4.34
Rot. Bonds5

About methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate

methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate (PubChem CID 10222050) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate.

Molecular Properties

Compound Namemethyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate
PubChem CID10222050
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Namemethyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate
SMILESCOC(=O)c1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C20H17N5O2S/c1-12-11-17(25-24-12)22-18-15-5-3-4-6-16(15)21-20(23-18)28-14-9-7-13(8-10-14)19(26)27-2/h3-11H,1-2H3,(H2,21,22,23,24,25)
InChIKeySLACAFFVQJBURP-UHFFFAOYSA-N
XLogP4.34
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate with MolForge

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Related Compounds

N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]acetamide
CID 10200408
4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzaldehyde
CID 88927768
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
CID 10134576
2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10201719
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10270356
4-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 70005435
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanylphenyl]acetamide
CID 10137836
N-(2-amino-4-fluorophenyl)-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylmethyl]benzamide
CID 166810134
2-(4-benzylsulfonylphenyl)sulfanyl-4-N,4-N-diethyl-5-methoxy-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine
CID 122635351
N-[4-[4-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide
CID 122625474
methyl 2-[[4-[5-methoxy-4-[methyl(propyl)amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]sulfonylmethyl]benzoate
CID 122635196
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate?
The IUPAC name of methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate (CID 10222050) is methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate.
What is the SMILES notation for methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate?
The canonical SMILES for methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate is COC(=O)c1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1.
What is the InChIKey of methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate?
The InChIKey is SLACAFFVQJBURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-12-11-17(25-24-12)22-18-15-5-3-4-6-16(15)21-20(23-18)28-14-9-7-13(8-10-14)19(26)27-2/h3-11H,1-2H3,(H2,21,22,23,24,25).
What are the key properties of methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate?
methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate has a molecular weight of 391.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate is sourced from PubChem (CID 10222050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).